4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol

C20H24N2O4 — CID 126842840

IUPAC4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol
SMILESCc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O
InChIInChI=1S/C20H24N2O4/c1-14-20(25)18(13-23)16(11-21-14)4-2-15-3-5-17(19(24)10-15)12-22-6-8-26-9-7-22/h2-5,10-11,23-25H,6-9,12-13H2,1H3/b4-2+
InChIKeyCLBYWCCDSKRGPR-DUXPYHPUSA-N
MW356.42 g/mol
LogP2.30
Rot. Bonds5

About 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol

4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol (PubChem CID 126842840) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol
PubChem CID126842840
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol
SMILESCc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O
InChIInChI=1S/C20H24N2O4/c1-14-20(25)18(13-23)16(11-21-14)4-2-15-3-5-17(19(24)10-15)12-22-6-8-26-9-7-22/h2-5,10-11,23-25H,6-9,12-13H2,1H3/b4-2+
InChIKeyCLBYWCCDSKRGPR-DUXPYHPUSA-N
XLogP2.30
TPSA86.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol (CID 126842840) is 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol is Cc1ncc(/C=C/c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O.
What is the InChIKey of 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol?
The InChIKey is CLBYWCCDSKRGPR-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-20(25)18(13-23)16(11-21-14)4-2-15-3-5-17(19(24)10-15)12-22-6-8-26-9-7-22/h2-5,10-11,23-25H,6-9,12-13H2,1H3/b4-2+.
What are the key properties of 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol?
4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol has a molecular weight of 356.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-[(E)-2-[3-hydroxy-4-(morpholin-4-ylmethyl)phenyl]ethenyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 126842840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).